SCHEMBL30165699

SCHEMBL30165699

NC(=O)c1cccc(NC(=O)NC2C3CC4CC2CC(O)(C4)C3)c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.59
HSD11B1 P28845 10/20 0.49
PARP1 P09874 1/20 0.46
PARP10 Q53GL7 1/20 0.46
HIF1A Q16665 1/20 0.46
EPAS1 Q99814 1/20 0.46
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30165688 0.75 EPHX2 (0.62) EPHX2ALDH1A1MAPTHPGDNPSR1
SCHEMBL4117347 0.74 EPHX2 (0.81) EPHX2
SCHEMBL4112779 0.74 EPHX2 (1.00) EPHX2ALDH1A1
SCHEMBL1675970 0.72 HSD11B1 (0.57) EPHX2HSD11B1
SCHEMBL16530082 0.72 HSD11B1 (0.57) EPHX2HSD11B1
SCHEMBL14261033 0.72 HSD11B1 (0.56) EPHX2HSD11B1
SCHEMBL4101592 0.71 EPHX2 (0.79) EPHX2HIF1AEPAS1ALDH1A1MAPT
SCHEMBL28425569 0.71 EPHX2 (1.00) EPHX2HSD11B1ALDH1A1HPGD
SCHEMBL16940730 0.71 HSD11B1 (0.77) HSD11B1
SCHEMBL16666616 0.71 HSD11B1 (0.77) HSD11B1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111423396-B sEH inhibitor, and preparation method and application thereof 沈阳药科大学 2023-01-06 CN claimed
CN-111423396-B sEH inhibitor, and preparation method and application thereof 沈阳药科大学 2023-01-06 CN disclosed